Fj. Berry et al., STRUCTURAL CHARACTERIZATION OF DIVALENT MAGNESIUM-DOPED ALPHA-FE2O3, Journal of solid state chemistry (Print), 140(2), 1998, pp. 428-430
The defect structure of divalent magnesium-doped alpha-Fe2O3 has been
examined by Rietveld structure refinement of the X-ray powder diffract
ion data. The results show that the Mg2+ ions occupy the vacant inters
titial octahedral sites as well as substituting on the two adjacent oc
tahedral Fe3+ sites in the corundum-related alpha-Fe2O3 structure, The
structure therefore involves a linear cluster of three Mg2+ ions repl
acing two Fe3+ ions. Interatomic potential calculations indicate that
this is the most energetically favorable defect cluster for the system
. (C) 1998 Academic Press.